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Advanced Materials Search

The steps for performing advanced searche for Materials are illustrated in the animation below.

We use the advanced search query builder to construct a query that filters the large dataset of materials (over 4000 entries) according to the formula ("Al"), unit cell volume (less than "80" in cubic Angstroms) and tags containing a certain keyword ("high pressure").

Searchable Properties

The following materials keywords are available.

Generic Keywords

Generic keywords present for all materials are described below. These can also be referred to as descriptive properties.

Keyword Description
name Name of the Material
formula Chemical formula, for example "CaTiO3"
latticeType The Bravais lattice type of the crystal structure under consideration
model The theoretical model employed to calculate the materials properties
method The computational method implementing the above model
spaceGroupSymbol The space group symbol describing the symmetry elements present in the crystal structure, e.g. "Fd-3m"
volume The volume of the unit cell of the structure, in units of angstrom^3
density The density of the crystal structure, in units of g/cm^3
owner The Account name which owns the material under consideration
tags Descriptive metadata tags added to the material entry by the user


Characteristic properties present for materials after the corresponding calculation(s) are done are described below and in the corresponding page.

Property Description
pressure External pressure in kbar
total_energy Total internal energy of the system in eV
band_gaps:direct The direct band gap in eV
band_gaps:indirect The indirect band gap in eV
band_structure The availability of electronic bandstructure data (boolean)
density_of_states The availability of electronic density of states data (boolean)